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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on La2Ni4GeP3 by Materials Project

La2Ni4GeP3 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to eight Ni, four equivalent Ge, and four equivalent P atoms. There are four shorter (3.14 Å) and four longer (3.32 Å) La–Ni bond lengths. All La–Ge bond lengths are 3.15 Å. All La–P bond lengths are 3.11 Å. In the second La site, La is bonded in a 8-coordinate geometry to eight Ni and eight P atoms. There are four shorter (3.12 Å) and four longer (3.13 Å) La–Ni bond lengths. There are four shorter (3.11 Å) and four longer (3.14 Å) La–P bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to four La, two equivalent Ge, and two equivalent P atoms. Both Ni–Ge bond lengths are 2.39 Å. Both Ni–P bond lengths are 2.28 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to four La and four P atoms. There are two shorter (2.31 Å) and two longer (2.33 Å) Ni–P bond lengths. Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ni, and one P atom. The Ge–P bond length is 2.58 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ni, and one P atom. The P–P bond length is 2.58 Å. In the second P site, P is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ni, and one P atom. In the third P site, P is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ni, and one Ge atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2Ni4Ge3P by Materials Project

La2Ni4Ge3P crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to eight Ni, four equivalent Ge, and four equivalent P atoms. There are four shorter (3.12 Å) and four longer (3.24 Å) La–Ni bond lengths. All La–Ge bond lengths are 3.24 Å. All La–P bond lengths are 3.22 Å. In the second La site, La is bonded in a 8-coordinate geometry to eight Ni and eight Ge atoms. There are four shorter (3.25 Å) and four longer (3.26 Å) La–Ni bond lengths. There are four shorter (3.21 Å) and four longer (3.23 Å) La–Ge bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to four La, two equivalent Ge, and two equivalent P atoms. Both Ni–Ge bond lengths are 2.42 Å. Both Ni–P bond lengths are 2.31 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to four La and four Ge atoms. There are two shorter (2.37 Å) and two longer (2.39 Å) Ni–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.61 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ni, and one Ge atom. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ni, and one P atom. The Ge–P bond length is 2.67 Å. P is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ni, and one Ge atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaNi2GeP by Materials Project

LaNi2GeP crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to eight equivalent Ni, four equivalent Ge, and four equivalent P atoms. There are four shorter (3.15 Å) and four longer (3.28 Å) La–Ni bond lengths. All La–Ge bond lengths are 3.18 Å. All La–P bond lengths are 3.18 Å. Ni is bonded in a 4-coordinate geometry to four equivalent La, two equivalent Ge, and two equivalent P atoms. Both Ni–Ge bond lengths are 2.40 Å. Both Ni–P bond lengths are 2.31 Å. Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ni, and one P atom. The Ge–P bond length is 2.62 Å. P is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ni, and one Ge atom.

36 MATERIALS SCIENCE↗